SCHEMBL719094

SCHEMBL719094

Cn1cc(-c2cnc3c(c2)c(I)cn3C(=O)OC(C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
DYRK1A Q13627 2/20 0.43
RET P07949 10/20 0.42
GPR119 Q8TDV5 1/20 0.41
USP30 Q70CQ3 2/20 0.41
TTK P33981 2/20 0.40
WNT1 P04628 1/20 0.40
LRRK2 Q5S007 1/20 0.39
MAPK1 P28482 2/20 0.39
AURKB Q96GD4 2/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
YES1 P07947 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15257727 0.87 RET (0.46) GSK3BDYRK1ARETGPR119USP30
SCHEMBL12291796 0.86 MKNK1 (0.37) RETMAPK1AURKBABL1
SCHEMBL9887901 0.85 PDPK1 (0.41)
SCHEMBL13385882 0.84 ALK (0.41) MAPK1AURKB
SCHEMBL3804479 0.84 GSK3B (0.41) GSK3BDYRK1ARETGPR119USP30
SCHEMBL12291835 0.84 CYP11B2 (0.38) GSK3BDYRK1ARETGPR119WNT1
SCHEMBL14976706 0.82 RET (0.42) GSK3BDYRK1ARETGPR119USP30
SCHEMBL18437202 0.82 GSK3B (0.41) GSK3BDYRK1ARETGPR119USP30
SCHEMBL28507697 0.80 CHEK1 (0.48)
SCHEMBL13554546 0.79 RET (0.42) GSK3BDYRK1ARETGPR119USP30

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133074-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2020-12-09 EP disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9725446-B2 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
EP-2746281-B1 7-azaindole derivatives MERCK PATENT GMBH (DE) 2017-04-26 EP disclosed
EP-3133074-A2 7-AZAINDOLE DERIVATIVES Merck Patent GmbH (DE) 2017-02-22 EP disclosed
EP-2670748-B1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
US-20160130269-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MERCK PATENT GMBH (DE) 2011-04-07 US disclosed
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MERCK PATENT GMBH (DE) 2011-04-07 US disclosed
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MERCK PATENT GMBH (DE) 2011-04-07 US disclosed
WO-2010127754-A1 3-([1,2,3]TRIAZOLE-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATES MERCK PATENT GMBH (DE) 2010-11-11 WO disclosed
EP-2155745-A1 6-(PYRROLOPYRIDINYL)-PYRIMIDINE-2-YL-AMINE DERIVATIVES Merck Patent GmbH (DE) 2010-02-24 EP disclosed
WO-2008155000-A1 6-(PYRROLOPYRIDINYL)-PYRIMIDINE-2-YL-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-24 WO disclosed
WO-2008155000-A1 6-(PYRROLOPYRIDINYL)-PYRIMIDINE-2-YL-AMINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110082140-A1 6-(PYRROLOPYRIDINYL) PYRIMIDIN-2-YLAMINE DERIVATIVES AND THE USE THEREOF FOR THE TREATMENT OF CANCER AND AIDS. MKI67, TYMP, TK2 GSK3B 2512/4885DYRK1A 1598/4885RET 1357/4885
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives PDK1, PDK2, PDK3 GSK3B 347/4885DYRK1A 633/4885RET 537/4885
US-20160130269-A1 7-AZAINDOLE DERIVATIVES PDK1, PDK2, PDK3 GSK3B 412/4885DYRK1A 998/4885RET 776/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.